CID 53484319

3-(3-bromophenyl)oxetane

Structural Information

Molecular Formula
C9H9BrO
SMILES
C1C(CO1)C2=CC(=CC=C2)Br
InChI
InChI=1S/C9H9BrO/c10-9-3-1-2-7(4-9)8-5-11-6-8/h1-4,8H,5-6H2
InChIKey
IKNHAXGIHOUCCX-UHFFFAOYSA-N
Compound name
3-(3-bromophenyl)oxetane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

211.98367 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.99095 131.2
[M+Na]+ 234.97289 132.3
[M+NH4]+ 230.01749 134.1
[M+K]+ 250.94683 133.6
[M-H]- 210.97639 132.6
[M+Na-2H]- 232.95834 134.7
[M]+ 211.98312 129.8
[M]- 211.98422 129.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe